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methyl 3-(4-nitrophenoxy)benzoate

methyl 3-(4-nitrophenoxy)benzoate

CAS: 212189-48-5

Formula: C14H11NO5

SMILES: COC(=O)C1=CC=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=C1

IUPAC: methyl 3-(4-nitrophenoxy)benzoate

InChI: InChI=1S/C14H11NO5/c1-19-14(16)10-3-2-4-13(9-10)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3

Composition: C (61.54%), H (4.06%), N (5.13%), O (29.28%)

Molar Mass: 273.244

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.063722458
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XLZUUZMFAKIMLB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.64
Topological Polar Surface Area 78.67
Polarizability 26.98
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 212189-48-5 $205.54-$528.36$205.54$528.36
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